DWA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N23 | C24 | doub | 1.32Å | 1.32Å | Aromatic |
| N23 | C22 | sing | 1.32Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| F27 | C22 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C12 | sing | 1.48Å | 1.41Å | |
| N20 | C17 | sing | 1.37Å | 1.32Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | N16 | doub | 1.30Å | 1.32Å | |
| C17 | O18 | sing | 1.35Å | 1.37Å | |
| C13 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| N16 | C7 | sing | 1.48Å | 1.47Å | |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| O18 | C19 | sing | 1.44Å | 1.45Å | |
| C8 | C7 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C19 | sing | 1.55Å | 1.52Å | |
| C7 | C5 | sing | 1.51Å | 1.57Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O14 | sing | 1.36Å | 1.38Å | |
| C15 | O14 | sing | 1.43Å | 1.46Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C6 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| N20 | H10 | sing | 0.97Å | 1.00Å | |
| N20 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | N23 | C22 | 123.4° | 121.8° |
| N23 | C24 | C25 | 118.9° | 121.1° |
| N23 | C24 | H18 | 120.6° | 119.4° |
| N23 | C22 | F27 | 118.9° | 119.8° |
| N23 | C22 | C21 | 120.6° | 120.5° |
| C24 | C25 | C26 | 119.8° | 119.3° |
| C24 | C25 | H17 | 120.1° | 120.3° |
| C25 | C24 | H18 | 120.6° | 119.5° |
| F27 | C22 | C21 | 120.5° | 119.7° |
| C22 | C21 | C26 | 117.2° | 118.9° |
| C22 | C21 | C12 | 123.1° | 120.6° |
| C25 | C26 | C21 | 120.0° | 118.4° |
| C25 | C26 | H16 | 120.0° | 120.8° |
| C26 | C25 | H17 | 120.1° | 120.3° |
| C26 | C21 | C12 | 119.6° | 120.6° |
| C21 | C26 | H16 | 120.0° | 120.8° |
| C21 | C12 | C13 | 120.1° | 120.2° |
| C21 | C12 | C11 | 121.2° | 120.1° |
| N20 | C17 | N16 | 123.0° | 123.1° |
| N20 | C17 | O18 | 122.8° | 123.1° |
| C17 | N20 | H10 | 120.0° | 120.0° |
| C17 | N20 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | 118.6° | 119.7° |
| C12 | C13 | C8 | 121.3° | 119.9° |
| C12 | C13 | H12 | 119.4° | 120.0° |
| C12 | C11 | C10 | 120.4° | 119.8° |
| C12 | C11 | H15 | 119.8° | 120.0° |
| N16 | C17 | O18 | 114.1° | 113.9° |
| C17 | N16 | C7 | 109.1° | 108.4° |
| C17 | O18 | C19 | 107.3° | 107.7° |
| C13 | C8 | C7 | 119.7° | 119.9° |
| C13 | C8 | C9 | 119.7° | 120.1° |
| C8 | C13 | H12 | 119.3° | 120.1° |
| N16 | C7 | C8 | 110.0° | 111.0° |
| N16 | C7 | C19 | 102.9° | 102.0° |
| N16 | C7 | C5 | 108.9° | 111.0° |
| C11 | C10 | C9 | 120.9° | 120.2° |
| C11 | C10 | H14 | 119.6° | 119.9° |
| C10 | C11 | H15 | 119.8° | 120.1° |
| O18 | C19 | C7 | 105.7° | 101.4° |
| O18 | C19 | H8 | 110.4° | 111.1° |
| O18 | C19 | H9 | 110.4° | 111.1° |
| C7 | C8 | C9 | 120.6° | 119.9° |
| C8 | C7 | C19 | 107.0° | 110.9° |
| C8 | C7 | C5 | 114.9° | 110.8° |
| C8 | C9 | C10 | 119.1° | 120.2° |
| C8 | C9 | H13 | 120.4° | 119.9° |
| C19 | C7 | C5 | 112.5° | 111.0° |
| C7 | C19 | H8 | 110.4° | 111.1° |
| C7 | C19 | H9 | 110.4° | 111.0° |
| C7 | C5 | C6 | 120.6° | 119.9° |
| C7 | C5 | C4 | 122.3° | 120.0° |
| C10 | C9 | H13 | 120.4° | 119.9° |
| C9 | C10 | H14 | 119.5° | 119.9° |
| C5 | C6 | C1 | 121.5° | 120.1° |
| C6 | C5 | C4 | 117.1° | 120.1° |
| C5 | C6 | H7 | 119.2° | 120.0° |
| C6 | C1 | C2 | 120.9° | 120.0° |
| C6 | C1 | H6 | 119.6° | 120.0° |
| C1 | C6 | H7 | 119.3° | 120.0° |
| C5 | C4 | C3 | 122.0° | 120.1° |
| C5 | C4 | H5 | 119.0° | 120.0° |
| C1 | C2 | C3 | 118.1° | 119.9° |
| C1 | C2 | O14 | 122.3° | 120.1° |
| C2 | C1 | H6 | 119.5° | 120.0° |
| C4 | C3 | C2 | 120.3° | 119.9° |
| C4 | C3 | H4 | 119.8° | 120.0° |
| C3 | C4 | H5 | 119.0° | 119.9° |
| C3 | C2 | O14 | 119.5° | 120.0° |
| C2 | C3 | H4 | 119.8° | 120.1° |
| C2 | O14 | C15 | 117.2° | 117.0° |
| O14 | C15 | H1 | 109.5° | 109.5° |
| O14 | C15 | H2 | 109.5° | 109.5° |
| O14 | C15 | H3 | 109.4° | 109.4° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.5° | 110.9° |
| H10 | N20 | H11 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N23 | C24 | C25 | H18 | 180.0° | 180.0° |
| C24 | N23 | C22 | F27 | 179.9° | 180.0° |
| C24 | N23 | C22 | C21 | 0.3° | 0.5° |
| N23 | C24 | C25 | C26 | 0.5° | 0.1° |
| N23 | C24 | C25 | H17 | 179.5° | 180.0° |
| C22 | N23 | C24 | C25 | 0.2° | 0.2° |
| N23 | C22 | F27 | C21 | 179.7° | 179.5° |
| N23 | C22 | C21 | C26 | 0.5° | 0.5° |
| N23 | C22 | C21 | C12 | 177.7° | 179.7° |
| C22 | N23 | C24 | H18 | 179.8° | 179.7° |
| C24 | C25 | C26 | H17 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.3° | 0.1° |
| C24 | C25 | C26 | H16 | 179.7° | 180.0° |
| F27 | C22 | C21 | C26 | 179.7° | 180.0° |
| F27 | C22 | C21 | C12 | 2.6° | 0.3° |
| C22 | C21 | C26 | C25 | 0.2° | 0.2° |
| C22 | C21 | C26 | C12 | 177.2° | 179.7° |
| C22 | C21 | C12 | C13 | 50.4° | 50.3° |
| C22 | C21 | C12 | C11 | 132.4° | 129.7° |
| C22 | C21 | C26 | H16 | 179.8° | 179.7° |
| C25 | C26 | C21 | H16 | 180.0° | 179.9° |
| C25 | C26 | C21 | C12 | 177.5° | 180.0° |
| C26 | C25 | C24 | H18 | 179.5° | 180.0° |
| C26 | C21 | C12 | C13 | 126.7° | 130.0° |
| C26 | C21 | C12 | C11 | 50.5° | 50.0° |
| C21 | C26 | C25 | H17 | 179.7° | 180.0° |
| C21 | C12 | C13 | C11 | 177.3° | 180.0° |
| C21 | C12 | C13 | C8 | 178.5° | 180.0° |
| C21 | C12 | C11 | C10 | 178.9° | 179.8° |
| C21 | C12 | C13 | H12 | 1.5° | 0.0° |
| C21 | C12 | C11 | H15 | 1.1° | 0.1° |
| C12 | C21 | C26 | H16 | 2.6° | 0.0° |
| N20 | C17 | N16 | O18 | 177.7° | 179.9° |
| N20 | C17 | N16 | C7 | 177.1° | 179.6° |
| N20 | C17 | O18 | C19 | 176.6° | 162.7° |
| C17 | N20 | H10 | H11 | 180.0° | 180.0° |
| C12 | C13 | C8 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 1.7° | 0.2° |
| C12 | C13 | C8 | C7 | 179.6° | 180.0° |
| C12 | C13 | C8 | C9 | 0.4° | 0.3° |
| C13 | C12 | C11 | H15 | 178.3° | 179.9° |
| C11 | C12 | C13 | C8 | 1.2° | 0.1° |
| C12 | C11 | C10 | H15 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 1.4° | 0.2° |
| C11 | C12 | C13 | H12 | 178.8° | 180.0° |
| C12 | C11 | C10 | H14 | 178.6° | 179.8° |
| N16 | C17 | O18 | C19 | 5.7° | 17.3° |
| C17 | N16 | C7 | C8 | 119.9° | 133.2° |
| C17 | N16 | C7 | C19 | 6.2° | 15.1° |
| C17 | N16 | C7 | C5 | 113.3° | 103.1° |
| N16 | C17 | N20 | H10 | 0.0° | 0.0° |
| N16 | C17 | N20 | H11 | 180.0° | 180.0° |
| O18 | C17 | N16 | C7 | 0.7° | 0.4° |
| C17 | O18 | C19 | C7 | 9.2° | 24.9° |
| C17 | O18 | C19 | H8 | 128.6° | 93.3° |
| C17 | O18 | C19 | H9 | 110.2° | 142.9° |
| O18 | C17 | N20 | H10 | 177.5° | 180.0° |
| O18 | C17 | N20 | H11 | 2.5° | 0.1° |
| C13 | C8 | C7 | N16 | 43.3° | 26.5° |
| C13 | C8 | C7 | C9 | 179.2° | 179.7° |
| C13 | C8 | C7 | C19 | 67.7° | 139.1° |
| C13 | C8 | C7 | C5 | 166.6° | 97.2° |
| C13 | C8 | C9 | C10 | 0.1° | 0.2° |
| C13 | C8 | C9 | H13 | 179.9° | 179.7° |
| N16 | C7 | C19 | O18 | 9.2° | 23.5° |
| N16 | C7 | C8 | C19 | 111.0° | 112.6° |
| N16 | C7 | C8 | C5 | 123.3° | 123.7° |
| N16 | C7 | C8 | C9 | 137.6° | 153.8° |
| N16 | C7 | C19 | C5 | 117.1° | 118.2° |
| N16 | C7 | C5 | C6 | 31.6° | 15.2° |
| N16 | C7 | C5 | C4 | 148.4° | 163.9° |
| N16 | C7 | C19 | H8 | 128.6° | 94.6° |
| N16 | C7 | C19 | H9 | 110.1° | 141.5° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C11 | C10 | C9 | H14 | 180.0° | 180.0° |
| C11 | C10 | C9 | H13 | 179.5° | 180.0° |
| O18 | C19 | C7 | C8 | 125.1° | 141.7° |
| O18 | C19 | C7 | H8 | 119.4° | 118.1° |
| O18 | C19 | C7 | H9 | 119.4° | 118.0° |
| O18 | C19 | C7 | C5 | 107.8° | 94.7° |
| O18 | C19 | H8 | H9 | 121.8° | 124.0° |
| C8 | C7 | C19 | C5 | 127.1° | 123.6° |
| C7 | C8 | C9 | C10 | 179.2° | 179.9° |
| C8 | C7 | C5 | C6 | 92.3° | 108.5° |
| C8 | C7 | C5 | C4 | 87.7° | 72.4° |
| C8 | C7 | C19 | H8 | 115.5° | 23.6° |
| C8 | C7 | C19 | H9 | 5.7° | 100.3° |
| C7 | C8 | C13 | H12 | 0.4° | 0.1° |
| C7 | C8 | C9 | H13 | 0.8° | 0.0° |
| C9 | C8 | C7 | C19 | 111.4° | 41.2° |
| C9 | C8 | C7 | C5 | 14.2° | 82.5° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C9 | C8 | C13 | H12 | 179.6° | 179.8° |
| C8 | C9 | C10 | H14 | 179.5° | 180.0° |
| C19 | C7 | C5 | C6 | 145.0° | 127.8° |
| C19 | C7 | C5 | C4 | 35.0° | 51.3° |
| C7 | C19 | H8 | H9 | 121.8° | 124.0° |
| C7 | C5 | C6 | C4 | 180.0° | 179.1° |
| C7 | C5 | C6 | C1 | 179.7° | 180.0° |
| C7 | C5 | C4 | C3 | 179.7° | 179.8° |
| C7 | C5 | C4 | H5 | 0.2° | 0.4° |
| C7 | C5 | C6 | H7 | 0.3° | 0.8° |
| C5 | C7 | C19 | H8 | 11.6° | 147.2° |
| C5 | C7 | C19 | H9 | 132.8° | 23.3° |
| C9 | C10 | C11 | H15 | 178.6° | 180.0° |
| C5 | C6 | C1 | H7 | 180.0° | 179.2° |
| C5 | C6 | C1 | C2 | 0.4° | 0.6° |
| C6 | C5 | C4 | C3 | 0.3° | 0.6° |
| C6 | C5 | C4 | H5 | 179.7° | 179.5° |
| C5 | C6 | C1 | H6 | 179.6° | 179.4° |
| C1 | C6 | C5 | C4 | 0.3° | 0.9° |
| C6 | C1 | C2 | H6 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 1.1° | 0.0° |
| C6 | C1 | C2 | O14 | 179.8° | 179.7° |
| C5 | C4 | C3 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| C5 | C4 | C3 | H4 | 179.6° | 179.9° |
| C4 | C5 | C6 | H7 | 179.7° | 180.0° |
| C1 | C2 | C3 | C4 | 1.1° | 0.3° |
| C1 | C2 | C3 | O14 | 178.7° | 179.7° |
| C1 | C2 | O14 | C15 | 12.9° | 0.3° |
| C1 | C2 | C3 | H4 | 178.9° | 179.8° |
| C2 | C1 | C6 | H7 | 179.6° | 179.7° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | O14 | 179.8° | 180.0° |
| C3 | C2 | O14 | C15 | 168.5° | 180.0° |
| C2 | C3 | C4 | H5 | 179.6° | 180.0° |
| C3 | C2 | C1 | H6 | 178.9° | 180.0° |
| C2 | O14 | C15 | H1 | 180.0° | 180.0° |
| C2 | O14 | C15 | H2 | 60.0° | 59.9° |
| C2 | O14 | C15 | H3 | 60.0° | 60.0° |
| O14 | C2 | C3 | H4 | 0.2° | 0.1° |
| O14 | C2 | C1 | H6 | 0.2° | 0.3° |
| O14 | C15 | H1 | H2 | 120.0° | 120.1° |
| O14 | C15 | H1 | H3 | 120.0° | 120.0° |
| O14 | C15 | H2 | H3 | 120.0° | 120.0° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H5 | 0.5° | 0.0° |
| H6 | C1 | C6 | H7 | 0.4° | 0.3° |
| H13 | C9 | C10 | H14 | 0.5° | 0.0° |
| H14 | C10 | C11 | H15 | 1.4° | 0.0° |
| H16 | C26 | C25 | H17 | 0.3° | 0.1° |
| H17 | C25 | C24 | H18 | 0.5° | 0.1° |
